Tiadenol

C₁₄H₃₀O₂S₂ — CID 23403

About Tiadenol

Tiadenol (PubChem CID 23403) has the molecular formula C₁₄H₃₀O₂S₂ and a molecular weight of 294.53 g/mol. Its IUPAC name is 2-[10-(2-hydroxyethylsulfanyl)decylsulfanyl]ethanol.

Molecular Properties

• Compound Name: Tiadenol
• PubChem CID: 23403
• Molecular Formula: C₁₄H₃₀O₂S₂
• Molecular Weight: 294.53 g/mol
• Exact Mass: 294.17
• IUPAC Name: 2-[10-(2-hydroxyethylsulfanyl)decylsulfanyl]ethanol
• SMILES: OCCSCCCCCCCCCCSCCO
• InChI: InChI=1S/C14H30O2S2/c15-9-13-17-11-7-5-3-1-2-4-6-8-12-18-14-10-16/h15-16H,1-14H2
• InChIKey: WRCITXQNXAIKLR-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	294.53
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Tiadenol?

The IUPAC name of Tiadenol (CID 23403) is 2-[10-(2-hydroxyethylsulfanyl)decylsulfanyl]ethanol.

What is the SMILES notation for Tiadenol?

The canonical SMILES for Tiadenol is OCCSCCCCCCCCCCSCCO.

What is the InChIKey of Tiadenol?

The InChIKey is WRCITXQNXAIKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2S2/c15-9-13-17-11-7-5-3-1-2-4-6-8-12-18-14-10-16/h15-16H,1-14H2.

What are the key properties of Tiadenol?

Tiadenol has a molecular weight of 294.53 g/mol, XLogP of 3.56, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Tiadenol is sourced from PubChem (CID 23403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 23403 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2647 — approved-drug record (CC BY-SA 4.0)

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